CID 439574

Refchem:718586

Structural Information

Molecular Formula

C₄H₈O₄

SMILES

C1[C@H]([C@H](C(O1)O)O)O

InChI

InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3-,4?/m1/s1

InChIKey

FMAORJIQYMIRHF-HERZVMAMSA-N

Compound name

(3R,4R)-oxolane-2,3,4-triol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6965
References: 19903
Patents: 120.04226 Da
Monoisotopic Mass: -1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	121.049536	120.0
[M+Na]+	143.031478	127.7
[M-H]-	119.034984	120.5
[M+NH4]+	138.076083	141.0
[M+K]+	159.005418	127.7
[M+H-H2O]+	103.039520	116.3
[M+HCOO]-	165.040461	139.3
[M+CH3COO]-	179.056111	159.8
[M+Na-2H]-	141.016926	124.9
[M]+	120.04171142	117.4
[M]-	120.04280858	117.4

Literature stripe

literature stripe

Patent stripe

patents stripe